REMARK  Name = BDB034173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.776   1.510   0.516  0.00  0.00    -0.040 C 
ATOM      2  C   LIG    1        0.809   0.479   1.050  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1       -0.549   1.091   1.445  0.00  0.00    +0.089 C 
ATOM      4  N   LIG    1       -1.054   2.116   0.512  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1       -0.072   3.208   0.408  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        1.357   2.762   0.249  0.00  0.00    -0.007 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.816   0.425  -0.141  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.141   1.058  -1.130  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1        3.854   1.391  -0.875  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1        3.185   1.125   0.321  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        3.913   0.466   1.315  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.245   0.112   1.089  0.00  0.00    +0.033 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.980  -1.653  -0.286  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.670  -1.159   0.056  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.968  -1.837   0.320  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.244   0.070  -0.430  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.970   0.823  -1.070  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.396   1.580  -0.817  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.570   0.631  -0.791  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -3.798   1.002  -0.227  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.847   0.094  -0.240  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.645  -1.155  -0.822  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -5.747  -2.110  -0.836  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -6.938  -1.793  -0.295  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -7.153  -0.463   0.328  0.00  0.00    +0.261 A 
ATOM     26  O   LIG    1       -8.222  -0.140   0.832  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1       -3.482  -1.545  -1.382  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -6.091   0.409   0.318  0.00  0.00    -0.320 N 
ATOM     29  H   LIG    1       -6.248   1.312   0.747  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -2.474  -0.641  -1.356  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -8.118  -2.689  -0.257  0.00  0.00    +0.422 C 
ATOM     32  F   LIG    1       -7.853  -3.891  -0.844  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.519  -2.978   1.007  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -9.186  -2.182  -0.923  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5